Yazar "Zengin, Mustafa" seçeneğine göre listele

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    Discovery of Potent Carbonic Anhydrase and Acetylcholinesterase Inhibitors: 2-Aminoindan beta-Lactam Derivatives
    (MDPI, 2016) Genc, Hayriye; Kalin, Ramazan; Koksal, Zeynep; Sadeghian, Nastaran; Kocyigit, Umit M.; Zengin, Mustafa; Gulcin, Ilhami; Ozdemir, Hasan
    beta-Lactams are pharmacologically important compounds because of their various biological uses, including antibiotic and so on. beta-Lactams were synthesized from benzylidene-inden derivatives and acetoxyacetyl chloride. The inhibitory effect of these compounds was examined for human carbonic anhydrase I and II (hCA I, and II) and acetylcholinesterase (AChE). The results reveal that beta-lactams are inhibitors of hCA I, II and AChE. The Ki values of beta-lactams (2a-k) were 0.44-6.29 nM against hCA I, 0.93-8.34 nM against hCA II, and 0.25-1.13 nM against AChE. Our findings indicate that beta-lactams (2a-k) inhibit both carbonic anhydrases (CA) isoenzymes and AChE at low nanomolar concentrations.
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    Novel carvacrol based new oxypropanolamine derivatives: Design, synthesis, characterization, biological evaluation, and molecular docking studies
    (Elsevier, 2020) Bytyqi-Damoni, Arlinda; Kestane, Ali; Taslimi, Parham; Tuzun, Burak; Zengin, Mustafa; Bilgicli, Hayriye Genc; Gulcin, Ilhami
    Carvacrol, as a natural product used for many years in the treatment of various diseases, therefore it was chosen as the starting compound for this study. Novel carvacrol based new oxypropanolamine derivatives were synthesized and characterized by spectroscopic methods. All new compounds were tested as metabolic enzyme inhibitory agents. Their clinical usage of carvacrol has been established as diuretics, antiepileptics, and anti-glaucoma factors, in the management of gastric, duodenal ulcers, mountain sickness, osteoporosis, idiopathic intracranial hypertension, or neurological disorders. The in vitro anti-hyperglycemic screening results showed that the compound 3d exhibits the maximum inhibitory effect against alpha-glycosidase enzyme (IC50: 904.10 nM). In addition, the compounds 3d (IC50: 29.74 nM and 23.64 nM) and 3e (IC50: 31.28 nM and 26.11 nM) were found to have a significant response to inhibit carbonic anhydrase I, and II isoenzymes (hCA I and II), respectively. The novel carvacrol based oxypropanolamine compounds were effective inhibitors of the hCA I and II isozymes, and acetylcholinesterase with Ki values in the range of 27.18-44.84 nM for hCA I, 25.62-38.71 nM for hCA II, and 99.83-146.25 nM for AChE, respectively. (C) 2019 Elsevier B.V. All rights reserved.y
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    Novel propanolamine derivatives attached to 2-metoxifenol moiety: Synthesis, characterization, biological properties, and molecular docking studies
    (Academic Press Inc Elsevier Science, 2020) Bilgicli, Hayriye Genc; Ergon, Derya; Taslimi, Parham; Tuzun, Burak; Kuru, Inci Akyazi; Zengin, Mustafa; Gulcin, Ilhami
    The synthesis of seven new beta-amino alcohols was designed and performed by starting from eugenol, a natural phenolic compound known to be biologically active. The synthesized compounds were obtained in yields ranging from 54 to 81%. Molecule structures were determined with FT-IR, H-1 NMR and C-13 NMR spectroscopies. In addition, the inhibitory effects of these substances on acetylcholinesterase (AChE), alpha-glycosidase (alpha-Gly), human carbonic anhydrase I (hCA I), and human carbonic anhydrase II (hCA II) enzymes have been investigated. It has been seen that all compounds have a better ability to inhibit compared to existing tried inhibitors. Among these, the best inhibitor against AChE enzyme is 2b (Ki 62.08 +/- 11.67 mu M and IC50 90.33), and against alpha-Gly, 2c showed the highest effect (Ki 0.33 +/- 0.08 mu M and IC50 0.28). The best inhibitor against hCA I, and hCA II enzymes is compound 2f. For hCA I and hCA II, Ki value was measured as 9.68 +/- 1.32 and 11.46 +/- 2.64 mu M and IC50 values as 7.37 and 8.26 mu M respectively. The interactions of the studied new propanolamine derivatives with the enzymes were done by molecular docking calculations and their biological activities were compared to the experimental tests. Studied enzymes in molecular docking calculations are acetylcholinesterase (AChE) is PDB ID: 4M0E, alpha-glycosidase (alpha-Gly) is PDB ID: 1R47, human carbonic anhydrase isoenzyme I (hCA I) PDB ID: 3LXE is human carbonic anhydrase isoenzyme II (hCA II) is PDB ID: 5 AML.
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    Synthesis of (4R)-2-(3-hydroxyphenyl)thiazolidine-4-carboxylic acid substituted phthalocyanines: Anticancer activity on different cancer cell lines and molecular docking studies
    (Wiley, 2021) Bilgicli, Ahmet T.; Genc Bilgicli, Hayriye; Hepokur, Ceylan; Tuzun, Burak; Gunsel, Armagan; Zengin, Mustafa; Yarasir, M. Nilufer
    In this study, firstly, (4R)-2-(3-hydroxyphenyl)thiazolidine-4-carboxylic acid (1) and (4R)-2-(3-(3,4-dicyanophenoxy)phenyl)thiazolidine-4-carboxylic acid (2) were prepared. Then, the novel type metallophthalocyanines (ZnPc (3), CuPc (4), and CoPc (5)) bearing thiazolidine groups in peripheral positions were synthesized using by compound (2). The synthesized new compounds (1-5) were characterized by the combination of standard spectroscopic methods such as FT-IR, H-1 NMR, C-13 NMR, UV-Vis spectral data, and MALDI-TOF. Aggregation behaviors of peripheral tetra-substituted metallophthalocyanines were investigated in dimethyl sulfoxide (DMSO) media. Fluorescence properties and fluorescence quantum yield of the new type zinc phthalocyanine (3) were performed in DMSO at room temperature. The anticancer activity of novel type metallophthalocyanines bearing thiazolidine groups in peripheral positions were investigated on rat glioma cancer (C6), human prostate carcinoma (DU-145), and normal human lung fibroblast (WI-38) cell lines. Finally, the biological and chemical activities of (4R)-2-(3-(3,4-dicyanophenoxy)phenyl)thiazolidine-4-carboxylic acid (2) and its novel type metallophthalocyanines (ZnPc (3), CuPc (4), and CoPc (5)) have been compared with many parameters obtained using theoretical methods that are the Gaussian software and molecular docking.
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    The new ball-type zinc phthalocyanine with S-S bridge; Synthesis, computational and photophysicochemical properties
    (Elsevier Science Sa, 2020) Bilgicli, Ahmet T.; Bilgicli, Hayriye Genc; Gunsel, Armagan; Piskin, Hasan; Tuzun, Burak; Yarasir, M. Nilufer; Zengin, Mustafa
    In this study, the starting compound 4,4'-disulfanediyldiphthalonitrile (1) and its ball-type zinc phthalocyanine (2) were synthesized and characterized by standard spectroscopic methods. The molecular structure and supramolecular dynamics of the compound (1) have been investigated by the analysis of the single crystal X-ray diffraction data. To further understand the intermolecular interactions of compound (1), the Hirshfeld surface analysis has been carried out. The compound (1) and (2) were investigated by quantum chemical calculations. Their quantum chemical parameters such as highest occupied molecular orbital (HOMO), lowest unoccupied molecular orbital (LUMO), chemical hardness were performed by B3lyp, HF, M062x method. The Delta G values of the compound (1) and (2) were calculated by using the obtained results. The calculated Infrared spectroscopy, Nuclear Magnetic Resonance, and UV-vis spectra of the compounds were investigated. In addition, photophysical (fluorescence quantum yields) and photochemical (singlet oxygen generation and photodegradation under light irradiation) properties of newly synthesized ball-type zinc phthalocyanine (2) were investigated in dimethyl sulfoxide (DMSO) solutions. We obtained very high singlet oxygen quantum yields as 0.89, suggesting its potential as photosensitizer in PDT treatment.
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    Turn-on fluorescent probe for Zn2+ ions based on thiazolidine derivative
    (Wiley, 2020) Bilgicli, Hayriye Genc; Bilgicli, Ahmet T.; Gunsel, Armagan; Tuzun, Burak; Ergon, Derya; Yarasir, M. Nilufer; Zengin, Mustafa
    In this study, simple on-off fluorescent/UV-visible (UV-Vis) probes were easily prepared using 2-(2-hydroxyphenyl)thiazolidine-4-carboxylic acid (Sen-1) and/or 2-(2-hydroxy-5-nitrophenyl)thiazolidine-4-carboxylic acid (Sen-2) for fast detection of Zn2+ ions. Their sensing properties towards common metal ions were investigated using UV-Vis and fluorescence spectroscopies. Sen-1 and Sen-2 displayed a significant change with the addition of Zn2+ ions in the UV-Vis spectra. The addition of Zn2+ ions induced a 104 nm bathochromic shift for Sen-1. The binding ratio towards Zn2+ metal ions was determined to be 1:1 by using Job plot analysis and fluorescence spectroscopy. The association constant and free energy (Delta G) of Sen-1 and Sen-2 towards Zn2+ ions were calculated by the Benesi-Hildebrand equation. The limit of detection of Sen-1 towards Zn2+ ions is 3.73 x 10(-8) M, which is about 1/100 of the value recommended by the World Health Organization for drinking water. Sen-1 was successfully applied to detect Zn2+ ions in water samples and the fluorescence test strip was prepared for visual detection of Zn2+ ions. Finally, the quantum chemical parameters of Sen-1 and Sen-2, such as highest occupied molecular orbital, lowest unoccupied molecular orbital, and chemical hardness, were investigated by the Becke, three-parameter, Lee-Yang-Parr, Hartree-Fock, and M062x methods.